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	hartrees
Energy at 0K	-576.555244
Energy at 298.15K	-576.560129
HF Energy	-575.972233
Nuclear repulsion energy	145.435962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	3098	9.45
2	A'	3190	3030	12.73
3	A'	3177	3018	2.20
4	A'	3073	2919	18.14
5	A'	1749	1661	14.21
6	A'	1539	1462	3.77
7	A'	1473	1400	3.48
8	A'	1402	1331	32.37
9	A'	1297	1231	0.78
10	A'	1132	1075	0.52
11	A'	969	921	17.17
12	A'	788	749	37.06
13	A'	576	547	0.75
14	A'	235	223	0.99
15	A"	3132	2975	18.07
16	A"	1540	1462	7.48
17	A"	1098	1043	0.77
18	A"	958	910	0.86
19	A"	728	692	45.99
20	A"	403	383	1.85
21	A"	105	100	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.892	0.000
C2	-1.249	0.412	0.000
C3	-1.728	-1.005	0.000
Cl4	1.490	-0.048	0.000
H5	0.173	1.967	0.000
H6	-2.034	1.171	0.000
H7	-0.910	-1.720	0.000
H8	-2.352	-1.195	0.884
H9	-2.352	-1.195	-0.884

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3381	2.5666	1.7624	1.0887	2.0527	2.7666	3.2668	3.2668
C2	1.3381		1.4962	2.7777	2.1070	1.0915	2.1592	2.1404	2.1404
C3	2.5666	1.4962		3.3575	3.5283	2.1975	1.0865	1.0984	1.0984
Cl4	1.7624	2.7777	3.3575		2.4082	3.7289	2.9251	4.1062	4.1062
H5	1.0887	2.1070	3.5283	2.4082		2.3458	3.8432	4.1421	4.1421
H6	2.0527	1.0915	2.1975	3.7289	2.3458		3.1018	2.5456	2.5456
H7	2.7666	2.1592	1.0865	2.9251	3.8432	3.1018		1.7712	1.7712
H8	3.2668	2.1404	1.0984	4.1062	4.1421	2.5456	1.7712		1.7671
H9	3.2668	2.1404	1.0984	4.1062	4.1421	2.5456	1.7712	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.704	C1	C2	H6	114.936
C2	C1	Cl4	126.703	C2	C1	H5	120.157
C2	C3	H7	112.482	C2	C3	H8	110.223
C2	C3	H9	110.223	C3	C2	H6	115.360
Cl4	C1	H5	113.139	H7	C3	H8	108.317
H7	C3	H9	108.317	H8	C3	H9	107.102

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(Z))

using model chemistry: CCSD=FULL/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H5Cl (1-chloro-1-propene(Z))

using model chemistry: CCSD=FULL/6-31G*

States and conformations

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(Z))